[3-[[3-[2-methyl-1-(methylamino)-2-oxidanyl-hexyl]phenoxy]methyl]phenyl]methanediol

Systemtic Name: [3-[[3-[2-methyl-1-(methylamino)-2-oxidanyl-hexyl]phenoxy]methyl]phenyl]methanediol Openeye Name: [3-[[3-[2-hydroxy-2-methyl-1-(methylamino)hexyl]phenoxy]methyl]phenyl]methanediol CAS Name: [3-[[3-[2-hydroxy-2-methyl-1-(methylamino)hexyl]phenoxy]methyl]phenyl]methanediol IUPAC Name: [3-[[3-[2-hydroxy-2-methyl-1-(methylamino)hexyl]phenoxy]methyl]phenyl]methanediol Traditional Name: [3-[[3-[2-hydroxy-2-methyl-1-(methylamino)hexyl]phenoxy]methyl]phenyl]methanediol Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)NC)O

Isomeric SMILES

CCCCC(C)(C(C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)NC)O

InChI

InChI=1S/C22H31NO4/c1-4-5-12-22(2,26)20(23-3)17-9-7-11-19(14-17)27-15-16-8-6-10-18(13-16)21(24)25/h6-11,13-14,20-21,23-26H,4-5,12,15H2,1-3H3